D413-0164 Screening compound: N-[5,7-bis(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide

D413-0164 Screening compound: N-[5,7-bis(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
D413-0164 Screening compound: N-[5,7-bis(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D413-0164
N-[5,7-bis(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D413-0164

Molecular Formula

C22H15Cl2N5O2 (C22 H15 Cl2 N5 O2)

Compound Name

N-[5,7-bis(4-chlorophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide

IUPAC name

N-[57-bis(4-chlorophenyl)-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]furan-2-carboxamide

SMILES

O=C(c1ccco1)Nc1nn(C(C=C(c(cc2)ccc2Cl)N2)c(cc3)ccc3Cl)c2n1

InChI

InChI=1S/C22H15Cl2N5O2/c23-15-7-3-13(4-8-15)17-12-18(14-5-9-16(24)10-6-14)29-22(25-17)27-21(28-29)26-20(30)19-2-1-11-31-19/h1-12,18H,(H2,25,26,27,28,30)/t18-/m1/s1

InChI Key

FUBAGQVWPWYWHP-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03692228

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

452.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.510

Distribution Coefficient, logD

5.500

Water Solubility, LogSw

-6.33

Polar Surface Area

70.463

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.50

D413-0164 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D413-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D413-0164?
Check Price and Availability of D413-0164, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D413-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D413-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D413-0164
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D413-0164 available by request